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Theoretical and Computational Chemistry

Working Paper

Catalysis-hub.org: An Open Electronic Structure Database for Surface Reactions

Kirsten Winther, Max J. Hoffmann, Osman Mamun, Jacob R. Boes, Jens K. Nørskov, Michal Bajdich, Thomas Bligaard

Version 2 posted 19 November 2018

1,725

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2

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Catalysis

Working Paper

Silica-supported PdGa Nanoparticles: Metal Synergy for Highly Active and Selective CO2-to-CH3OH Hydrogenation

Scott Docherty, Nat Phongprueksathat, Erwin Lam, Gina Noh, Olga V. Safonova, Atsushi Urakawa, Christophe Copéret

Version 2 posted 11 February 2021

747

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Catalysis

Working Paper

Carboxylated Chitosan Nanocrystals: Novel Synthetic Route and Application as Superior Support for Gold-Catalyzed Reactions

Tony Jin, Davis Kurdyla, Sabahudin Hrapovic, Alfred Leung, Sophie Régnier, Yali Liu, Audrey Moores, Edmond Lam

Version 1 posted 24 January 2020

637

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Inorganic Chemistry

Working Paper

Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

MohammadReza MomeniTaheri, Christopher J. Cramer

Version 1 posted 22 February 2019

919

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Catalysis

Working Paper

Preparation of Recyclable and Versatile Porous Poly-Arylthioethers by Reversible Pd-Catalysed C–S/C–S Metathesis

Miguel A. Rivero-Crespo, Georgios Toupalas, Bill Morandi

Version 2 posted 25 June 2021

950

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Catalysis

Working Paper

Evidence for Photocatalyst Involvement in Oxidative Additions of Nickel-Catalyzed Carboxylate O-Arylations

Jamal Malik, Amiera Madani, Bartholomäus Pieber, Peter H. Seeberger

Version 1 posted 12 March 2020

685

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Catalysis

Working Paper

Highly Porous Hybrid Metallosilicate Materials Prepared by Non-Hydrolytic Sol-Gel: Hydrothermal Stability and Catalytic Properties in Ethanol Dehydration

Ales Styskalik, Imene Kordoghli, Claude Poleunis, Arnaud Delcorte, Carmela Aprile, Luca Fusaro, Damien Debecker

Version 1 posted 26 July 2019

700

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Catalysis

Working Paper

Regioselective Gas-Phase n-Butane Transfer Dehydrogenation via Silica-Supported Pincer-Iridium Complexes

Boris Sheludko, Cristina Castro, Chaitanya Khalap, Thomas Emge, Alan Goldman, Fuat E. Celik

Version 1 posted 28 August 2020

370

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Organometallic Chemistry

Working Paper

Probing Substrate Diffusion in Interstitial MOF Chemistry with Kinetic Isotope Effects

David Powers, Chen-Hao Wang, Anuvab Das, Wen-Yang Gao

Version 1 posted 14 February 2018

1,056

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Catalysis

Working Paper

Investigation of Amorphous Mixed-Metal (Oxy)Fluorides as a New Class of Water Oxidation Electrocatalysts

Kévin Lemoine, Jérôme Lhoste, Annie Hémon-Ribaud, Nina Heidary, Vincent Maisonneuve, Amandine Guiet, Nikolay Kornienko

Version 1 posted 12 August 2019

715

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132 results in heterogeneous Catalysis in Keywords: heterogeneous Catalysis

Catalysis-hub.org: An Open Electronic Structure Database for Surface Reactions

Silica-supported PdGa Nanoparticles: Metal Synergy for Highly Active and Selective CO2-to-CH3OH Hydrogenation

Carboxylated Chitosan Nanocrystals: Novel Synthetic Route and Application as Superior Support for Gold-Catalyzed Reactions

Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

Preparation of Recyclable and Versatile Porous Poly-Arylthioethers by Reversible Pd-Catalysed C–S/C–S Metathesis

Evidence for Photocatalyst Involvement in Oxidative Additions of Nickel-Catalyzed Carboxylate O-Arylations

Highly Porous Hybrid Metallosilicate Materials Prepared by Non-Hydrolytic Sol-Gel: Hydrothermal Stability and Catalytic Properties in Ethanol Dehydration

Regioselective Gas-Phase n-Butane Transfer Dehydrogenation via Silica-Supported Pincer-Iridium Complexes

Probing Substrate Diffusion in Interstitial MOF Chemistry with Kinetic Isotope Effects

Investigation of Amorphous Mixed-Metal (Oxy)Fluorides as a New Class of Water Oxidation Electrocatalysts

132 results in Keywords: heterogeneous Catalysis